[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CS2)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CS2)N3C=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14-7-8-16(12-18(14)22-9-3-4-10-22)20(24)25-15(2)19(23)21-13-17-6-5-11-26-17/h3-12,15H,13H2,1-2H3,(H,21,23)